Match Partial charge 4
Commits >
Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 >
Run foss-mpi-min: [foss2022a-mpi] >
Input 17-scfinlcao_alt.01-gs.inp
Value | Reference | Precision | Status |
7.024000000000000e+00 | 7.024000000000000e+00 | 3.510000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 5)